2-(1-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

C15H19NO2 — CID 65067131

IUPAC2-(1-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
SMILESCC(C1CC1)N1CCc2ccccc2C1C(=O)O
InChIInChI=1S/C15H19NO2/c1-10(11-6-7-11)16-9-8-12-4-2-3-5-13(12)14(16)15(17)18/h2-5,10-11,14H,6-9H2,1H3,(H,17,18)
InChIKeyBRVTZCORTKXCRY-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.47
Rot. Bonds3

About 2-(1-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

2-(1-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid (PubChem CID 65067131) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(1-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
PubChem CID65067131
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-(1-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
SMILESCC(C1CC1)N1CCc2ccccc2C1C(=O)O
InChIInChI=1S/C15H19NO2/c1-10(11-6-7-11)16-9-8-12-4-2-3-5-13(12)14(16)15(17)18/h2-5,10-11,14H,6-9H2,1H3,(H,17,18)
InChIKeyBRVTZCORTKXCRY-UHFFFAOYSA-N
XLogP2.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxybutan-2-yl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 65066841
2-(1-pyrazin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 65067036
5-(1-cyclopentylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65072210
2-[2-(azetidin-3-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 116677501
2-(3-methylbutylsulfonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 63858200
2-[2-(cyclopentanecarbonylamino)propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 119212952
2-(4-methylcyclohexyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 64747377
2-(oxan-4-yl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 63934827
2-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 119212817
2-(cyclopropylsulfamoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 114805857
2-prop-2-enylsulfonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 79673378
2-acetyl-N-[2,6-di(propan-2-yl)phenyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 68712464

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid?
The IUPAC name of 2-(1-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid (CID 65067131) is 2-(1-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid.
What is the SMILES notation for 2-(1-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid?
The canonical SMILES for 2-(1-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid is CC(C1CC1)N1CCc2ccccc2C1C(=O)O.
What is the InChIKey of 2-(1-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid?
The InChIKey is BRVTZCORTKXCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10(11-6-7-11)16-9-8-12-4-2-3-5-13(12)14(16)15(17)18/h2-5,10-11,14H,6-9H2,1H3,(H,17,18).
What are the key properties of 2-(1-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid?
2-(1-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid has a molecular weight of 245.32 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid is sourced from PubChem (CID 65067131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).